iOpenShell » Software announcements » New version of PGOPHER

New version of PGOPHER

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Member
Registered: Jul 2009
Posts: 1
I would like to announce the availability of a new version of PGOPHER, version 6.0. As well as many minor improvements and bug fixes, two major new features are available in the new release:

* A mode for simulating vibrational structure, including anharmonic and Renner-Teller effects, starting from a harmonic model. The intensity calculation includes full multidimensional Franck-Condon factors taking account of both mode displacements and mixing between modes (The Dushinsky effect). See <http://pgopher.chm.bris.ac.uk/Help/vibratingmolecules.htm>

* Spectra in the presence of static external electric and/or magnetic fields can now be simulated, including plots of energy levels against electric field suitable for predicting Stark deceleration, focusing and trapping of molecules. See: <http://pgopher.chm.bris.ac.uk/Help/extfields.htm>

PGOPHER is a general purpose program for simulatig and fitting rotational, vibrational and electronic spectra. It will handle linear molecules and symmetric and asymmetric tops, including effects due to unpaired electrons and nuclear spin and many sorts of transitions, including Raman, multiphoton and forbidden transitions.

PGOPHER is designed to be easy to use; it uses a standard graphical user interface and the program is currently in use for undergraduate practicals and workshops as well as research work.

The program is freely downloadable from a supporting web site at Bristol (<http://pgopher.chm.bris.ac.uk>), for Microsoft Windows and Linux, with a beta version available for the Apple Mac. The program is released as open source, and can be compiled with open source tools.
Member
Registered: Nov 2011
Posts: 6
Location: Chicago, IL
What does this thing do by the way?
Can any one explain it to me. Will be some sort of help to me.

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